N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride

C19H24ClN7O — CID 119528063

IUPACN-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccccc1
InChIInChI=1S/C19H23N7O.ClH/c20-16(14-4-2-1-3-5-14)12-21-19(27)15-8-10-25(11-9-15)18-7-6-17-23-22-13-26(17)24-18;/h1-7,13,15-16H,8-12,20H2,(H,21,27);1H
InChIKeyRARQVCZYTGWMCP-UHFFFAOYSA-N
MW401.90 g/mol
LogP1.58
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119528063) has the molecular formula C19H24ClN7O and a molecular weight of 401.90 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119528063
Molecular FormulaC19H24ClN7O
Molecular Weight401.90 g/mol
Exact Mass401.17
IUPAC NameN-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccccc1
InChIInChI=1S/C19H23N7O.ClH/c20-16(14-4-2-1-3-5-14)12-21-19(27)15-8-10-25(11-9-15)18-7-6-17-23-22-13-26(17)24-18;/h1-7,13,15-16H,8-12,20H2,(H,21,27);1H
InChIKeyRARQVCZYTGWMCP-UHFFFAOYSA-N
XLogP1.58
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42951611
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292
N-(4-phenylbutan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42652793
(2R)-3-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]butanoic acid
CID 119369237
N-[[2-(methoxymethyl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32607331
N-(6-methylheptan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46577267
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 56518180
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55582989
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166179292
N-(2,3-dihydro-1H-inden-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134060258
N'-(2-methylbenzoyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 43057127

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride (CID 119528063) is N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride is Cl.NC(CNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is RARQVCZYTGWMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O.ClH/c20-16(14-4-2-1-3-5-14)12-21-19(27)15-8-10-25(11-9-15)18-7-6-17-23-22-13-26(17)24-18;/h1-7,13,15-16H,8-12,20H2,(H,21,27);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 401.90 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119528063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).